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NCID-ZINC01752739

 MMsINC code: MMs02362879
Type: Neutral
Formula: C18H17ClF3NO2
SMILES:   Clc1cc(C(C)C)c(OC(=O)Nc2cc(ccc2)C(F)(F)F)cc1C
InChI:   InChI=1/C18H17ClF3NO2/c1-10(2)14-9-15(19)11(3)7-16(14)25-17(24)23-13-6-4-5-12(8-13)18(20,21)22/h4-10H,1-3H3,(H,23,24)

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Potential Energy
Epot(MMFF94)=89.8686 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.786 g/mol  logS: -6.53834  SlogP: 6.71302  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0829791  Sterimol/B1: 2.1278  Sterimol/B2: 3.18815  Sterimol/B3: 3.83186
  Sterimol/B4: 8.44008  Sterimol/L: 16.8092 
 
 Surface and Volume Properties
  Accessible surface: 598.551  Positive charged surface: 273.835  Negative charged surface: 324.716  Volume: 317.875
  Hydrophobic surface: 416.093  Hydrophilic surface: 182.458
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.